Vijay Singh

发表

Investigation of superacidic behavior of hydrogenated FemFn (m = 1/2, n = 1–6/11) complexes and their abilities to form supersalts

A. K. Pandey, B. Mwankemwa, D. V. Shukla, 2022, Structural Chemistry.

Biological, Electronic, NLO, NBO, TDDFT and Vibrational Analysis of 1-benzyl-4-formyl-1H-pyrrole-3-carboxamide

A. K. Pandey, Vijay Singh, V. N. Mishra, 2020 .

Structural, IR spectra NBO, TDDFT, AIM calculation, biological activity and docking property of [1,2,4]-triazolo[3,4-b][1,3,4] thiadiazole

V. Narayan, A. K. Pandey, D. V. Shukla, 2018, Egyptian Journal of Basic and Applied Sciences.

Protonated MF– (M=Au, Ir, Os, Re, Ta, W) behave as superacids and are building blocks of new class of salt

V. Narayan, A. K. Pandey, D. V. Shukla, 2021, Structural Chemistry.

Quantum chemical study of effect on adsorption properties of antituberculosis drug N-Cyclopentylidenepyridine-4-carbohydrazide interaction with CNT(C56H16)

S. N. Tiwari, A. K. Pandey, Apoorva Dwivedi, 2022, Journal of the Indian Chemical Society.

Dielectric studies of molecular complexes ofDDT with some compounds of biological interest

R. Sahai, Vijay Singh, M. Chauhan, 1981 .

Molecular docking, experimental FT-IR spectra, UV–Vis spectra, vibrational analysis, electronic properties, Fukui function analysis of a potential bioactive agent – Proflavine

O. P. Yadav, A. K. Pandey, D. V. Shukla, 2022, Journal of the Indian Chemical Society.

Simulation Study to Enhance the Efficiency of Switching Devices using the Combinations of Diodes in Various Networks

S. N. Tiwari, A. K. Pandey, Vijay Singh, 2023, Macromolecular Symposia.

Time‐Dependent Density Functional Theory, AIM Analysis, NLO, and Thermodynamic Properties of Propofol and Adsorption Effects of Propofol Drug over Carbon Nanotube (C56H16) as the Factor of Drug Delivery System

V. Narayan, A. K. Pandey, Vijay Singh, 2023, Macromolecular Symposia.

Quantum Chemical Analysis and Effect of Super Alkali/Super Halogen Doping on the Opto-Electronic Properties of L-Lysine p-Nitrophenolatemonohydrate (LLPNP) Using First Principle

A. K. Pandey, Vijay Singh, A. Dwivedi, 2023, Polycyclic Aromatic Compounds.

Exploration of superhalogen nature of Pt(CN)n complexes (n = 1–6) and their abilities to form supersalts and superacids: a DFT–D3 study

A. K. Pandey, D. V. Shukla, S. A. Siddiqui, 2021, Structural Chemistry.

Comparative study of molecular docking, structural, electronic, vibrational and hydrogen bonding interactions on 4-hydroxy benzo hydrazide (4HBH) and its newly designed derivative [(E)–N′-((1H-Pyrrol-2-YL)methylene) –4-hydroxy benzo hydrazide and its isomers (I, II and III)] (potential inhibitors) f

A. K. Pandey, Vijay Singh, A. Dwivedi, 2021, Main Group Chemistry.

Comparative Study of Molecular Docking, Structural, Electronic, and Fukui Function Studies on Favipiravir and its Newly Designed Derivatives (Potential Inhibitors) for COVID‐19 Protease

A. K. Pandey, Apoorva Dwivedi, Vijay Singh, 2023, Macromolecular Symposia.

Quantum chemical calculations of a novel Specie - Boron Nano Bucket (B16) and the interaction of its complex (B15-Li) with drug Resorcinol

Vijay Singh, Anoop Kumar Pandey, Apoorva Dwivedi, 2020, J. Comput. Methods Sci. Eng..